MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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benzoyl-pyrrothine
Properties
Image
Occurences in reactions
MNX_ID
MNXM148100
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
13
H
10
N
2
O
2
S
2
charge
0
mass
290.01837
reference
metacycM:CPD-17937
InChIKey
VQVYTYBHAGLZNJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O2S2/c1-15-9-7-18-19-11(9)10(13(15)17)14-12(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)
SMILES
Cn1c2cssc-2c(NC(=O)c2ccccc2)c1=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-17937
metacycM:CPD-17937
seed.compound:cpd31834
seedM:cpd31834
benzoyl-pyrrothine
seedM:M_cpd31834
secondary/obsolete/fantasy identifier